5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C13H20ClN3O2 — CID 62721396

IUPAC5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCC(C)NC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12-15-7-10(14)11(17-12)13(18)16-9(3)5-6-19-4/h7-9H,5-6H2,1-4H3,(H,16,18)
InChIKeyRRTJXQIMBVBVIL-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.41
Rot. Bonds6

About 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62721396) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62721396
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCC(C)NC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12-15-7-10(14)11(17-12)13(18)16-9(3)5-6-19-4/h7-9H,5-6H2,1-4H3,(H,16,18)
InChIKeyRRTJXQIMBVBVIL-UHFFFAOYSA-N
XLogP2.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
ethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoate
CID 47462370
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
5-chloro-2-propan-2-yl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 95784692
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119665126
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62721396) is 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is COCCC(C)NC(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RRTJXQIMBVBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)12-15-7-10(14)11(17-12)13(18)16-9(3)5-6-19-4/h7-9H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62721396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).